CID 3091232

1,6-hexanediylbis(2-aminobenzamide)

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2N)N
InChI
InChI=1S/C20H26N4O2/c21-17-11-5-3-9-15(17)19(25)23-13-7-1-2-8-14-24-20(26)16-10-4-6-12-18(16)22/h3-6,9-12H,1-2,7-8,13-14,21-22H2,(H,23,25)(H,24,26)
InChIKey
YJEULLIOUKINGM-UHFFFAOYSA-N
Compound name
2-amino-N-[6-[(2-aminobenzoyl)amino]hexyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

354.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.212846 186.4
[M+Na]+ 377.194788 188.6
[M-H]- 353.198294 191.2
[M+NH4]+ 372.239393 197.1
[M+K]+ 393.168728 184.2
[M+H-H2O]+ 337.202830 176.6
[M+HCOO]- 399.203771 210.3
[M+CH3COO]- 413.219421 224.8
[M+Na-2H]- 375.180236 187.1
[M]+ 354.20502142 183.5
[M]- 354.20611858 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe